SCHEMBL2795192

SCHEMBL2795192

Nc1cc(OC2CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.43
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SOS1 Q07889 5/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KRAS P01116 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C8 P10632 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ PIK3CA P42336 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1263834 0.91 SOS1 (0.46) SYKSLC6A2SLC6A4SOS1SLC6A3
SCHEMBL5423541 0.91 SOS1 (0.46) SYKSLC6A2SLC6A4SOS1SLC6A3
SCHEMBL28376348 0.84 GPR35 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL6216607 0.81 HRH1 (0.45) SYKSLC6A2SLC6A4SLC6A3
SCHEMBL15850412 0.80 AKT1 (0.38) SYKSOS1KRASCYP3A4CYP2C8
SCHEMBL12382084 0.80 SOS1 (0.40) SYKSOS1KRASCYP3A4CYP2C8
SCHEMBL28376979 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL2203963 0.79 MET (0.45) SLC6A2SLC6A4ALDH1A1MAPTKDM4E
SCHEMBL28928680 0.77 SYK (0.43) SYKSLC6A2SLC6A4SLC6A3HDAC6
SCHEMBL16907535 0.76 CHRNB2 (0.41) SLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921078-B1 MULTIKINASE INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-09 — — EP disclosed
US-8299252-B2 Pyrazolopyridine and pyrrolopyridine multikinase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-30 — — US disclosed
US-8299252-B2 Pyrazolopyridine and pyrrolopyridine multikinase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-30 — — US disclosed
US-8299252-B2 Pyrazolopyridine and pyrrolopyridine multikinase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-30 — — US disclosed
US-20100168430-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-01 — — US disclosed
US-20100168430-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-01 — — US disclosed
US-20100168430-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-01 — — US disclosed
EP-1921078-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-14 — — EP disclosed
EP-1921078-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-14 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100168430-A1 MULTIKINASE INHIBITOR REN, RAF1, CHUK SYK 854/4885SLC6A2 4199/4885SLC6A4 4534/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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